2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one

C13H21N3O — CID 105496819

IUPAC2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1c2c([nH]n1C1CCCCCC1)CCNC2
InChIInChI=1S/C13H21N3O/c17-13-11-9-14-8-7-12(11)15-16(13)10-5-3-1-2-4-6-10/h10,14-15H,1-9H2
InChIKeyBHSOWJYPMUSABO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.72
Rot. Bonds1

About 2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one

2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 105496819) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID105496819
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1c2c([nH]n1C1CCCCCC1)CCNC2
InChIInChI=1S/C13H21N3O/c17-13-11-9-14-8-7-12(11)15-16(13)10-5-3-1-2-4-6-10/h10,14-15H,1-9H2
InChIKeyBHSOWJYPMUSABO-UHFFFAOYSA-N
XLogP1.72
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (CID 105496819) is 2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is O=c1c2c([nH]n1C1CCCCCC1)CCNC2.
What is the InChIKey of 2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is BHSOWJYPMUSABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c17-13-11-9-14-8-7-12(11)15-16(13)10-5-3-1-2-4-6-10/h10,14-15H,1-9H2.
What are the key properties of 2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 235.33 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 105496819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).